REMARK  Name = BDB013725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.408  -0.636   1.051  0.00  0.00    -0.323 N 
ATOM      2  H   LIG    1        0.201   0.078   1.741  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.481  -0.399   0.210  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        2.583   0.486   0.673  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        3.588   0.802  -0.234  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        4.638   1.653   0.140  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        4.687   2.177   1.431  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.694   1.845   2.351  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.555   0.218  -1.584  0.00  0.00    +0.275 A 
ATOM     10  O   LIG    1        4.420   0.533  -2.398  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1        2.527  -0.680  -1.840  0.00  0.00    -0.230 N 
ATOM     12  C   LIG    1        2.416  -1.295  -3.149  0.00  0.00    +0.176 C 
ATOM     13  C   LIG    1        2.646   0.999   1.978  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        1.500  -0.942  -0.975  0.00  0.00    -0.153 NA
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  C   LIG    1       -1.479  -1.895   1.871  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1       -0.803  -1.355   0.605  0.00  0.00    +0.090 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.696  -0.436  -0.327  0.00  0.00    +0.108 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.318   0.742   0.425  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1       -3.533   0.662   1.097  0.00  0.00    +0.116 A 
ATOM     20  N   LIG    1       -4.084   1.672   1.813  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1       -3.408   2.838   1.841  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1       -2.201   3.038   1.198  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.651   1.976   0.486  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
BRANCH  17  24
ATOM     24  N   LIG    1       -2.668  -1.069  -1.266  0.00  0.00    -0.300 NA
ATOM     25  C   LIG    1       -3.293  -2.307  -0.816  0.00  0.00    +0.105 C 
ATOM     26  C   LIG    1       -2.039  -1.300  -2.574  0.00  0.00    +0.105 C 
ENDBRANCH  17  24
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5